N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine

C15H31NO — CID 81032198

IUPACN-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine
SMILESCCCOCC1CC(C)CCC1CNC(C)C
InChIInChI=1S/C15H31NO/c1-5-8-17-11-15-9-13(4)6-7-14(15)10-16-12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyYSOYLDVSYDGTNB-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds7

About N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine

N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81032198) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine
PubChem CID81032198
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine
SMILESCCCOCC1CC(C)CCC1CNC(C)C
InChIInChI=1S/C15H31NO/c1-5-8-17-11-15-9-13(4)6-7-14(15)10-16-12(2)3/h12-16H,5-11H2,1-4H3
InChIKeyYSOYLDVSYDGTNB-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine (CID 81032198) is N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine is CCCOCC1CC(C)CCC1CNC(C)C.
What is the InChIKey of N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is YSOYLDVSYDGTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-8-17-11-15-9-13(4)6-7-14(15)10-16-12(2)3/h12-16H,5-11H2,1-4H3.
What are the key properties of N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine?
N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(propoxymethyl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81032198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).